The reaction between the nickel(II) PCP pincer fluoride complex (tBuPCP)Ni(F) and the tungsten(II) carbonyl hydride CpW(H)(CO)3 leads to hydrogen fluoride formation, along with the bimetallic compound [CpW(CO)2(μ-κ,C:κ,O-CO) Ni(tBuPCP)]. The fluoride−hydride interaction is not direct but water-mediated, different from that found for the related hydride−hydride pair. The process has been studied through multinuclear 19F, 31P, and 1H NMR spectroscopy combined with density functional theory calculations, at the M06//6-31+G(d,p) level of theory.
Interaction between a Transition-Metal Fluoride and a Transition-Metal Hydride: Water-Mediated Hydrofluoric Acid Evolution Following Fluoride Solvation
CHIEROTTI, Michele Remo;GOBETTO, Roberto;
2013-01-01
Abstract
The reaction between the nickel(II) PCP pincer fluoride complex (tBuPCP)Ni(F) and the tungsten(II) carbonyl hydride CpW(H)(CO)3 leads to hydrogen fluoride formation, along with the bimetallic compound [CpW(CO)2(μ-κ,C:κ,O-CO) Ni(tBuPCP)]. The fluoride−hydride interaction is not direct but water-mediated, different from that found for the related hydride−hydride pair. The process has been studied through multinuclear 19F, 31P, and 1H NMR spectroscopy combined with density functional theory calculations, at the M06//6-31+G(d,p) level of theory.
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